[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

C20H25N5O3 — CID 137029525

IUPAC[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESC[C@@H]1CN(c2cc(-c3ccccc3O)nnc2N)CCN1C(=O)[C@@H]1CCCO1
InChIInChI=1S/C20H25N5O3/c1-13-12-24(8-9-25(13)20(27)18-7-4-10-28-18)16-11-15(22-23-19(16)21)14-5-2-3-6-17(14)26/h2-3,5-6,11,13,18,26H,4,7-10,12H2,1H3,(H2,21,23)/t13-,18+/m1/s1
InChIKeyJRKMOIZQFDOZBT-ACJLOTCBSA-N
MW383.45 g/mol
LogP1.65
Rot. Bonds3

About [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 137029525) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID137029525
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESC[C@@H]1CN(c2cc(-c3ccccc3O)nnc2N)CCN1C(=O)[C@@H]1CCCO1
InChIInChI=1S/C20H25N5O3/c1-13-12-24(8-9-25(13)20(27)18-7-4-10-28-18)16-11-15(22-23-19(16)21)14-5-2-3-6-17(14)26/h2-3,5-6,11,13,18,26H,4,7-10,12H2,1H3,(H2,21,23)/t13-,18+/m1/s1
InChIKeyJRKMOIZQFDOZBT-ACJLOTCBSA-N
XLogP1.65
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 137029525) is [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is C[C@@H]1CN(c2cc(-c3ccccc3O)nnc2N)CCN1C(=O)[C@@H]1CCCO1.
What is the InChIKey of [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is JRKMOIZQFDOZBT-ACJLOTCBSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13-12-24(8-9-25(13)20(27)18-7-4-10-28-18)16-11-15(22-23-19(16)21)14-5-2-3-6-17(14)26/h2-3,5-6,11,13,18,26H,4,7-10,12H2,1H3,(H2,21,23)/t13-,18+/m1/s1.
What are the key properties of [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 383.45 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 137029525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).